(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone

C18H32N2O — CID 120992451

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCN(C(=O)C2CC3CCCC(C2)C3N)C1
InChIInChI=1S/C18H32N2O/c1-2-5-13-6-4-9-20(12-13)18(21)16-10-14-7-3-8-15(11-16)17(14)19/h13-17H,2-12,19H2,1H3
InChIKeyGCAGVSFKRXWQSW-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.18
Rot. Bonds3

About (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone

(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone (PubChem CID 120992451) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone
PubChem CID120992451
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCN(C(=O)C2CC3CCCC(C2)C3N)C1
InChIInChI=1S/C18H32N2O/c1-2-5-13-6-4-9-20(12-13)18(21)16-10-14-7-3-8-15(11-16)17(14)19/h13-17H,2-12,19H2,1H3
InChIKeyGCAGVSFKRXWQSW-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone (CID 120992451) is (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone is CCCC1CCCN(C(=O)C2CC3CCCC(C2)C3N)C1.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone?
The InChIKey is GCAGVSFKRXWQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-2-5-13-6-4-9-20(12-13)18(21)16-10-14-7-3-8-15(11-16)17(14)19/h13-17H,2-12,19H2,1H3.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone?
(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone has a molecular weight of 292.47 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 120992451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).